(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium

C4H8N3O2+ — CID 143383514

IUPAC(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium
SMILESCc1noc(N)c1[NH2+]O
InChIInChI=1S/C4H7N3O2/c1-2-3(6-8)4(5)9-7-2/h6,8H,5H2,1H3/p+1
InChIKeyLPAHPGNBLXBVRV-UHFFFAOYSA-O
MW130.13 g/mol
LogP-0.85
Rot. Bonds1

About (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium

(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium (PubChem CID 143383514) has the molecular formula C4H8N3O2+ and a molecular weight of 130.13 g/mol. Its IUPAC name is (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium.

Molecular Properties

Compound Name(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium
PubChem CID143383514
Molecular FormulaC4H8N3O2+
Molecular Weight130.13 g/mol
Exact Mass130.06
IUPAC Name(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium
SMILESCc1noc(N)c1[NH2+]O
InChIInChI=1S/C4H7N3O2/c1-2-3(6-8)4(5)9-7-2/h6,8H,5H2,1H3/p+1
InChIKeyLPAHPGNBLXBVRV-UHFFFAOYSA-O
XLogP-0.85
TPSA88.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
CID 82502400
4-(1,1-dideuterioethyl)-3-methyl-1,2-oxazol-5-amine
CID 13317380
4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
CID 12603867
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
CID 117274287
(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol
CID 41037815
5-N,3-dimethyl-1,2-oxazole-4,5-diamine
CID 118227876
5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263621
5-amino-4-methyl-1,2-oxazole-3-carbonitrile
CID 90903187
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 18098858
3,4,5-trimethyl-1,2-oxazole
CID 25375

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium?
The IUPAC name of (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium (CID 143383514) is (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium.
What is the SMILES notation for (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium?
The canonical SMILES for (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium is Cc1noc(N)c1[NH2+]O.
What is the InChIKey of (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium?
The InChIKey is LPAHPGNBLXBVRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N3O2/c1-2-3(6-8)4(5)9-7-2/h6,8H,5H2,1H3/p+1.
What are the key properties of (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium?
(5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium has a molecular weight of 130.13 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methyl-1,2-oxazol-4-yl)-hydroxyazanium is sourced from PubChem (CID 143383514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).